(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-[3,5-bis(oxidanyl)phenyl]propanoyl]amino]-3-naphthalen-2-yl-propanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-phenyl-propanamide

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-[3,5-bis(oxidanyl)phenyl]propanoyl]amino]-3-naphthalen-2-yl-propanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-phenyl-propanamide Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(3,5-dihydroxyphenyl)propanoyl]amino]-3-(2-naphthyl)propanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-phenyl-propanamide CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(3,5-dihydroxyphenyl)-1-oxopropyl]amino]-3-(2-naphthalenyl)-1-oxopropyl]-methylamino]-1-oxo-3-phenylpropyl]-methylamino]-1-oxo-3-phenylpropyl]-methylamino]-3-phenylpropanamide IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(3,5-dihydroxyphenyl)propanoyl]amino]-3-naphthalen-2-ylpropanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanamide Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(3,5-dihydroxyphenyl)propanoyl]amino]-3-(2-naphthyl)propanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-phenyl-propionamide Formula: C52H56N6O7 MolecularWeight: 877.03704

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=CC=C1)C(=O)N(C)C(CC2=CC=CC=C2)C(=O)N(C)C(CC3=CC=CC=C3)C(=O)N)C(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CC6=CC(=CC(=C6)O)O)N

Isomeric SMILES

CN([C@@H](CC1=CC=CC=C1)C(=O)N(C)[C@@H](CC2=CC=CC=C2)C(=O)N(C)[C@@H](CC3=CC=CC=C3)C(=O)N)C(=O)[C@H](CC4=CC5=CC=CC=C5C=C4)NC(=O)[C@H](CC6=CC(=CC(=C6)O)O)N

InChI

InChI=1S/C52H56N6O7/c1-56(45(48(54)61)30-34-15-7-4-8-16-34)51(64)47(32-36-19-11-6-12-20-36)58(3)52(65)46(31-35-17-9-5-10-18-35)57(2)50(63)44(29-37-23-24-39-21-13-14-22-40(39)25-37)55-49(62)43(53)28-38-26-41(59)33-42(60)27-38/h4-27,33,43-47,59-60H,28-32,53H2,1-3H3,(H2,54,61)(H,55,62)/t43-,44-,45-,46-,47-/m0/s1